2-(4-fluorobenzoyl)-1H-imidazole

• ChemBase ID: 312478
• Molecular Formular: C10H7FN2O
• Molecular Mass: 190.1737832
• Monoisotopic Mass: 190.05424107
• SMILES: c1(ncc[nH]1)C(=O)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C(=O)c1ncc[nH]1
• InChI: InChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)9(14)10-12-5-6-13-10/h1-6H,(H,12,13)
• InChIKey: MWVQQKGPQOZKKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorobenzoyl)-1H-imidazole
• IUPAC Traditional name: 2-(4-fluorobenzoyl)-1H-imidazole
• Synonyms: (4-fluorophenyl)(1H-imidazol-2-yl)methanone

Database IDs

• CAS Number: 915920-84-2
• MDL Number: MFCD08691941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8123183
• LogD (pH = 7.4): 1.83311
• Log P: 1.8343756
• Molar Refractivity: 49.2819 cm^3
• Polarizability: 18.485886 Å^3
• Polar Surface Area: 45.75 Å^2